data_5620 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5620 _Entry.Title ; Assignment for ribosomal protein S28E ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-12-10 _Entry.Accession_date 2002-12-10 _Entry.Last_release_date 2002-12-27 _Entry.Original_release_date 2002-12-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bin Wu . . . 5620 2 Adelinda Yee . . . 5620 3 Cheryl Arrowsmith . . . 5620 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5620 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 483 5620 '13C chemical shifts' 281 5620 '15N chemical shifts' 58 5620 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2002-12-27 2002-12-10 original author . 5620 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5620 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of ribosomal protein S28E from Methanobacterium Thermoautotrophicum ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Bin Wu . . . 5620 1 2 Adelinda Yee . . . 5620 1 3 Cheryl Arrowsmith . . . 5620 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'ribosomal protein S28E' 5620 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_RS28_METTH _Assembly.Sf_category assembly _Assembly.Sf_framecode system_RS28_METTH _Assembly.Entry_ID 5620 _Assembly.ID 1 _Assembly.Name 'ribosomal protein S28E' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all other bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5620 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 mth0256 1 $mth0256 . . . native . . . . . 5620 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'ribosomal protein S28E' system 5620 1 RS28_METTH abbreviation 5620 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'ribosomal protein S28E' 5620 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mth0256 _Entity.Sf_category entity _Entity.Sf_framecode mth0256 _Entity.Entry_ID 5620 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'ribosomal protein S28E' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MDDATPAEVIEVLKRTGMTG EVMQVKCRILDGRDKGRILT RNVMGPIREGDILMLLDTIR EAKEIRTP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 68 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all other bound' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7666 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1NE3 . "Solution Structure Of Ribosomal Protein S28e From Methanobacterium Thermoautotrophicum. Ontario Centre For Structural Proteomic" . . . . . 100.00 68 100.00 100.00 3.33e-38 . . . . 5620 1 2 no DBJ BAM69468 . "30S ribosomal protein S28e [Methanothermobacter thermautotrophicus CaT2]" . . . . . 100.00 68 97.06 100.00 3.56e-37 . . . . 5620 1 3 no GB AAB84762 . "ribosomal protein S28 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 68 100.00 100.00 3.33e-38 . . . . 5620 1 4 no GB ADL58301 . "30S ribosomal protein S28e [Methanothermobacter marburgensis str. Marburg]" . . . . . 100.00 68 97.06 100.00 3.56e-37 . . . . 5620 1 5 no REF NP_275399 . "30S ribosomal protein S28 [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 68 100.00 100.00 3.33e-38 . . . . 5620 1 6 no REF WP_010875895 . "30S ribosomal protein S28e [Methanothermobacter thermautotrophicus]" . . . . . 100.00 68 100.00 100.00 3.33e-38 . . . . 5620 1 7 no REF WP_013295525 . "30S ribosomal protein S28e [Methanothermobacter marburgensis]" . . . . . 100.00 68 97.06 100.00 3.56e-37 . . . . 5620 1 8 no REF YP_003849614 . "30S ribosomal protein S28e [Methanothermobacter marburgensis str. Marburg]" . . . . . 100.00 68 97.06 100.00 3.56e-37 . . . . 5620 1 9 no SP O26356 . "RecName: Full=30S ribosomal protein S28e [Methanothermobacter thermautotrophicus str. Delta H]" . . . . . 100.00 68 100.00 100.00 3.33e-38 . . . . 5620 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'ribosomal protein S28E' common 5620 1 S28E abbreviation 5620 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5620 1 2 . ASP . 5620 1 3 . ASP . 5620 1 4 . ALA . 5620 1 5 . THR . 5620 1 6 . PRO . 5620 1 7 . ALA . 5620 1 8 . GLU . 5620 1 9 . VAL . 5620 1 10 . ILE . 5620 1 11 . GLU . 5620 1 12 . VAL . 5620 1 13 . LEU . 5620 1 14 . LYS . 5620 1 15 . ARG . 5620 1 16 . THR . 5620 1 17 . GLY . 5620 1 18 . MET . 5620 1 19 . THR . 5620 1 20 . GLY . 5620 1 21 . GLU . 5620 1 22 . VAL . 5620 1 23 . MET . 5620 1 24 . GLN . 5620 1 25 . VAL . 5620 1 26 . LYS . 5620 1 27 . CYS . 5620 1 28 . ARG . 5620 1 29 . ILE . 5620 1 30 . LEU . 5620 1 31 . ASP . 5620 1 32 . GLY . 5620 1 33 . ARG . 5620 1 34 . ASP . 5620 1 35 . LYS . 5620 1 36 . GLY . 5620 1 37 . ARG . 5620 1 38 . ILE . 5620 1 39 . LEU . 5620 1 40 . THR . 5620 1 41 . ARG . 5620 1 42 . ASN . 5620 1 43 . VAL . 5620 1 44 . MET . 5620 1 45 . GLY . 5620 1 46 . PRO . 5620 1 47 . ILE . 5620 1 48 . ARG . 5620 1 49 . GLU . 5620 1 50 . GLY . 5620 1 51 . ASP . 5620 1 52 . ILE . 5620 1 53 . LEU . 5620 1 54 . MET . 5620 1 55 . LEU . 5620 1 56 . LEU . 5620 1 57 . ASP . 5620 1 58 . THR . 5620 1 59 . ILE . 5620 1 60 . ARG . 5620 1 61 . GLU . 5620 1 62 . ALA . 5620 1 63 . LYS . 5620 1 64 . GLU . 5620 1 65 . ILE . 5620 1 66 . ARG . 5620 1 67 . THR . 5620 1 68 . PRO . 5620 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 5620 1 . ASP 2 2 5620 1 . ASP 3 3 5620 1 . ALA 4 4 5620 1 . THR 5 5 5620 1 . PRO 6 6 5620 1 . ALA 7 7 5620 1 . GLU 8 8 5620 1 . VAL 9 9 5620 1 . ILE 10 10 5620 1 . GLU 11 11 5620 1 . VAL 12 12 5620 1 . LEU 13 13 5620 1 . LYS 14 14 5620 1 . ARG 15 15 5620 1 . THR 16 16 5620 1 . GLY 17 17 5620 1 . MET 18 18 5620 1 . THR 19 19 5620 1 . GLY 20 20 5620 1 . GLU 21 21 5620 1 . VAL 22 22 5620 1 . MET 23 23 5620 1 . GLN 24 24 5620 1 . VAL 25 25 5620 1 . LYS 26 26 5620 1 . CYS 27 27 5620 1 . ARG 28 28 5620 1 . ILE 29 29 5620 1 . LEU 30 30 5620 1 . ASP 31 31 5620 1 . GLY 32 32 5620 1 . ARG 33 33 5620 1 . ASP 34 34 5620 1 . LYS 35 35 5620 1 . GLY 36 36 5620 1 . ARG 37 37 5620 1 . ILE 38 38 5620 1 . LEU 39 39 5620 1 . THR 40 40 5620 1 . ARG 41 41 5620 1 . ASN 42 42 5620 1 . VAL 43 43 5620 1 . MET 44 44 5620 1 . GLY 45 45 5620 1 . PRO 46 46 5620 1 . ILE 47 47 5620 1 . ARG 48 48 5620 1 . GLU 49 49 5620 1 . GLY 50 50 5620 1 . ASP 51 51 5620 1 . ILE 52 52 5620 1 . LEU 53 53 5620 1 . MET 54 54 5620 1 . LEU 55 55 5620 1 . LEU 56 56 5620 1 . ASP 57 57 5620 1 . THR 58 58 5620 1 . ILE 59 59 5620 1 . ARG 60 60 5620 1 . GLU 61 61 5620 1 . ALA 62 62 5620 1 . LYS 63 63 5620 1 . GLU 64 64 5620 1 . ILE 65 65 5620 1 . ARG 66 66 5620 1 . THR 67 67 5620 1 . PRO 68 68 5620 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 5620 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $mth0256 . 145262 organism . 'Methanobacterium thermoautotrophicum' 'Methanothermobacter thermoautotrophicus' . . Archaea Euryarchaeota Methanobacterium thermoautotrophicum . . . . . . . . . . . . . . . . . . . . . 5620 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 5620 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $mth0256 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 (DE3)' . . . . . . . . . . . . plasmid . . PET15B . . . . . . 5620 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5620 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'ribosomal protein S28E' '[U-13C; U-15N]' . . 1 $mth0256 . . 1 . . MM . . . . 5620 1 2 NaCl . . . . . . . 450 . . mM . . . . 5620 1 3 Na2PO4 . . . . . . . 25 . . mM . . . . 5620 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_set1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_set1 _Sample_condition_list.Entry_ID 5620 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 na 5620 1 temperature 298 1 K 5620 1 'ionic strength' 0.45 . M 5620 1 stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 5620 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5620 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 5620 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.95 _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak assignment' 5620 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5620 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5620 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer VARIAN INOVA . 600 . . . 5620 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 5620 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '13C-edited NOESY and 15N-edited NOESY were calibrated to obtain accurate' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5620 1 2 'peakposition for structure calculation.' . . . . . . . . . . . 1 $sample_1 . . . 1 $cond_set1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5620 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__1_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__1_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__2_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__2_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__3_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__3_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__4_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__4_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__5_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__5_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__6_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__6_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__6_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__7_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__7_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__7_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__8_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__8_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__8_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__8_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__9_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__9_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__9_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__9_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 20 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__10_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__10_1 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 21 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__10_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__10_2 _NMR_spec_expt.Entry_ID 5620 _NMR_spec_expt.ID 22 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5620 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 5620 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 5620 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 5620 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 5620 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_set1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '13C-edited NOESY and 15N-edited NOESY were calibrated to obtain accurate' 1 $sample_1 . 5620 1 2 'peakposition for structure calculation.' 1 $sample_1 . 5620 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.9 0.5 . 1 . . . . . . . . 5620 1 2 . 1 1 1 1 MET HA H 1 4.43 0.05 . 1 . . . . . . . . 5620 1 3 . 1 1 1 1 MET CB C 13 32.2 0.5 . 1 . . . . . . . . 5620 1 4 . 1 1 1 1 MET HB2 H 1 2.48 0.05 . 2 . . . . . . . . 5620 1 5 . 1 1 1 1 MET HB3 H 1 2.39 0.05 . 2 . . . . . . . . 5620 1 6 . 1 1 1 1 MET CG C 13 33.1 0.5 . 1 . . . . . . . . 5620 1 7 . 1 1 1 1 MET HG2 H 1 2.04 0.05 . 2 . . . . . . . . 5620 1 8 . 1 1 1 1 MET HG3 H 1 1.92 0.05 . 2 . . . . . . . . 5620 1 9 . 1 1 1 1 MET HE1 H 1 2.00 0.05 . 1 . . . . . . . . 5620 1 10 . 1 1 1 1 MET HE2 H 1 2.00 0.05 . 1 . . . . . . . . 5620 1 11 . 1 1 1 1 MET HE3 H 1 2.00 0.05 . 1 . . . . . . . . 5620 1 12 . 1 1 1 1 MET CE C 13 17.2 0.5 . 1 . . . . . . . . 5620 1 13 . 1 1 2 2 ASP H H 1 8.27 0.05 . 1 . . . . . . . . 5620 1 14 . 1 1 2 2 ASP CA C 13 55.5 0.5 . 1 . . . . . . . . 5620 1 15 . 1 1 2 2 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 5620 1 16 . 1 1 2 2 ASP CB C 13 41.5 0.5 . 1 . . . . . . . . 5620 1 17 . 1 1 2 2 ASP HB2 H 1 2.70 0.05 . 2 . . . . . . . . 5620 1 18 . 1 1 2 2 ASP HB3 H 1 2.59 0.05 . 2 . . . . . . . . 5620 1 19 . 1 1 2 2 ASP C C 13 176.1 0.5 . 1 . . . . . . . . 5620 1 20 . 1 1 3 3 ASP N N 15 118.8 0.5 . 1 . . . . . . . . 5620 1 21 . 1 1 3 3 ASP H H 1 8.26 0.05 . 1 . . . . . . . . 5620 1 22 . 1 1 3 3 ASP CA C 13 54.6 0.5 . 1 . . . . . . . . 5620 1 23 . 1 1 3 3 ASP HA H 1 4.63 0.05 . 1 . . . . . . . . 5620 1 24 . 1 1 3 3 ASP CB C 13 41.4 0.5 . 1 . . . . . . . . 5620 1 25 . 1 1 3 3 ASP HB2 H 1 2.75 0.05 . 2 . . . . . . . . 5620 1 26 . 1 1 3 3 ASP HB3 H 1 2.64 0.05 . 2 . . . . . . . . 5620 1 27 . 1 1 3 3 ASP C C 13 175.5 0.5 . 1 . . . . . . . . 5620 1 28 . 1 1 4 4 ALA N N 15 123.1 0.5 . 1 . . . . . . . . 5620 1 29 . 1 1 4 4 ALA H H 1 7.88 0.05 . 1 . . . . . . . . 5620 1 30 . 1 1 4 4 ALA CA C 13 52.0 0.5 . 1 . . . . . . . . 5620 1 31 . 1 1 4 4 ALA HA H 1 4.59 0.05 . 1 . . . . . . . . 5620 1 32 . 1 1 4 4 ALA HB1 H 1 1.22 0.05 . 1 . . . . . . . . 5620 1 33 . 1 1 4 4 ALA HB2 H 1 1.22 0.05 . 1 . . . . . . . . 5620 1 34 . 1 1 4 4 ALA HB3 H 1 1.22 0.05 . 1 . . . . . . . . 5620 1 35 . 1 1 4 4 ALA CB C 13 21.2 0.5 . 1 . . . . . . . . 5620 1 36 . 1 1 4 4 ALA C C 13 176.9 0.5 . 1 . . . . . . . . 5620 1 37 . 1 1 5 5 THR N N 15 119.0 0.5 . 1 . . . . . . . . 5620 1 38 . 1 1 5 5 THR H H 1 8.78 0.05 . 1 . . . . . . . . 5620 1 39 . 1 1 5 5 THR CA C 13 59.9 0.5 . 1 . . . . . . . . 5620 1 40 . 1 1 5 5 THR HA H 1 4.76 0.05 . 1 . . . . . . . . 5620 1 41 . 1 1 5 5 THR CB C 13 72.2 0.5 . 1 . . . . . . . . 5620 1 42 . 1 1 5 5 THR HB H 1 3.94 0.05 . 1 . . . . . . . . 5620 1 43 . 1 1 5 5 THR HG21 H 1 1.32 0.05 . 1 . . . . . . . . 5620 1 44 . 1 1 5 5 THR HG22 H 1 1.32 0.05 . 1 . . . . . . . . 5620 1 45 . 1 1 5 5 THR HG23 H 1 1.32 0.05 . 1 . . . . . . . . 5620 1 46 . 1 1 5 5 THR CG2 C 13 22.1 0.5 . 1 . . . . . . . . 5620 1 47 . 1 1 6 6 PRO CD C 13 50.5 0.5 . 1 . . . . . . . . 5620 1 48 . 1 1 6 6 PRO CA C 13 63.0 0.5 . 1 . . . . . . . . 5620 1 49 . 1 1 6 6 PRO HA H 1 4.83 0.05 . 1 . . . . . . . . 5620 1 50 . 1 1 6 6 PRO CB C 13 34.9 0.5 . 1 . . . . . . . . 5620 1 51 . 1 1 6 6 PRO HB2 H 1 2.42 0.05 . 2 . . . . . . . . 5620 1 52 . 1 1 6 6 PRO HB3 H 1 2.17 0.05 . 2 . . . . . . . . 5620 1 53 . 1 1 6 6 PRO CG C 13 25.3 0.5 . 1 . . . . . . . . 5620 1 54 . 1 1 6 6 PRO HG2 H 1 1.95 0.05 . 1 . . . . . . . . 5620 1 55 . 1 1 6 6 PRO HG3 H 1 1.95 0.05 . 1 . . . . . . . . 5620 1 56 . 1 1 6 6 PRO HD2 H 1 3.59 0.05 . 2 . . . . . . . . 5620 1 57 . 1 1 6 6 PRO HD3 H 1 3.52 0.05 . 2 . . . . . . . . 5620 1 58 . 1 1 6 6 PRO C C 13 176.6 0.5 . 1 . . . . . . . . 5620 1 59 . 1 1 7 7 ALA N N 15 124.5 0.5 . 1 . . . . . . . . 5620 1 60 . 1 1 7 7 ALA H H 1 9.18 0.05 . 1 . . . . . . . . 5620 1 61 . 1 1 7 7 ALA CA C 13 51.1 0.5 . 1 . . . . . . . . 5620 1 62 . 1 1 7 7 ALA HA H 1 5.10 0.05 . 1 . . . . . . . . 5620 1 63 . 1 1 7 7 ALA HB1 H 1 1.07 0.05 . 1 . . . . . . . . 5620 1 64 . 1 1 7 7 ALA HB2 H 1 1.07 0.05 . 1 . . . . . . . . 5620 1 65 . 1 1 7 7 ALA HB3 H 1 1.07 0.05 . 1 . . . . . . . . 5620 1 66 . 1 1 7 7 ALA CB C 13 23.4 0.5 . 1 . . . . . . . . 5620 1 67 . 1 1 7 7 ALA C C 13 174.6 0.5 . 1 . . . . . . . . 5620 1 68 . 1 1 8 8 GLU N N 15 122.0 0.5 . 1 . . . . . . . . 5620 1 69 . 1 1 8 8 GLU H H 1 8.73 0.05 . 1 . . . . . . . . 5620 1 70 . 1 1 8 8 GLU CA C 13 54.2 0.5 . 1 . . . . . . . . 5620 1 71 . 1 1 8 8 GLU HA H 1 4.98 0.05 . 1 . . . . . . . . 5620 1 72 . 1 1 8 8 GLU CB C 13 33.3 0.5 . 1 . . . . . . . . 5620 1 73 . 1 1 8 8 GLU HB2 H 1 1.94 0.05 . 1 . . . . . . . . 5620 1 74 . 1 1 8 8 GLU HB3 H 1 1.94 0.05 . 1 . . . . . . . . 5620 1 75 . 1 1 8 8 GLU CG C 13 36.1 0.5 . 1 . . . . . . . . 5620 1 76 . 1 1 8 8 GLU HG2 H 1 2.05 0.05 . 1 . . . . . . . . 5620 1 77 . 1 1 8 8 GLU HG3 H 1 2.05 0.05 . 1 . . . . . . . . 5620 1 78 . 1 1 8 8 GLU C C 13 177.1 0.5 . 1 . . . . . . . . 5620 1 79 . 1 1 9 9 VAL N N 15 126.9 0.5 . 1 . . . . . . . . 5620 1 80 . 1 1 9 9 VAL H H 1 9.34 0.05 . 1 . . . . . . . . 5620 1 81 . 1 1 9 9 VAL CA C 13 64.6 0.5 . 1 . . . . . . . . 5620 1 82 . 1 1 9 9 VAL HA H 1 3.94 0.05 . 1 . . . . . . . . 5620 1 83 . 1 1 9 9 VAL CB C 13 31.6 0.5 . 1 . . . . . . . . 5620 1 84 . 1 1 9 9 VAL HB H 1 2.31 0.05 . 1 . . . . . . . . 5620 1 85 . 1 1 9 9 VAL HG11 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 86 . 1 1 9 9 VAL HG12 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 87 . 1 1 9 9 VAL HG13 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 88 . 1 1 9 9 VAL HG21 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 89 . 1 1 9 9 VAL HG22 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 90 . 1 1 9 9 VAL HG23 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 91 . 1 1 9 9 VAL CG1 C 13 22.5 0.5 . 1 . . . . . . . . 5620 1 92 . 1 1 9 9 VAL CG2 C 13 22.2 0.5 . 1 . . . . . . . . 5620 1 93 . 1 1 9 9 VAL C C 13 176.9 0.5 . 1 . . . . . . . . 5620 1 94 . 1 1 10 10 ILE N N 15 125.6 0.5 . 1 . . . . . . . . 5620 1 95 . 1 1 10 10 ILE H H 1 9.17 0.05 . 1 . . . . . . . . 5620 1 96 . 1 1 10 10 ILE CA C 13 61.5 0.5 . 1 . . . . . . . . 5620 1 97 . 1 1 10 10 ILE HA H 1 4.63 0.05 . 1 . . . . . . . . 5620 1 98 . 1 1 10 10 ILE CB C 13 39.7 0.5 . 1 . . . . . . . . 5620 1 99 . 1 1 10 10 ILE HB H 1 2.00 0.05 . 1 . . . . . . . . 5620 1 100 . 1 1 10 10 ILE HG21 H 1 0.91 0.05 . 1 . . . . . . . . 5620 1 101 . 1 1 10 10 ILE HG22 H 1 0.91 0.05 . 1 . . . . . . . . 5620 1 102 . 1 1 10 10 ILE HG23 H 1 0.91 0.05 . 1 . . . . . . . . 5620 1 103 . 1 1 10 10 ILE CG2 C 13 18.2 0.5 . 1 . . . . . . . . 5620 1 104 . 1 1 10 10 ILE CG1 C 13 27.0 0.5 . 1 . . . . . . . . 5620 1 105 . 1 1 10 10 ILE HG12 H 1 1.29 0.05 . 2 . . . . . . . . 5620 1 106 . 1 1 10 10 ILE HG13 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 107 . 1 1 10 10 ILE HD11 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 108 . 1 1 10 10 ILE HD12 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 109 . 1 1 10 10 ILE HD13 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 110 . 1 1 10 10 ILE CD1 C 13 14.3 0.5 . 1 . . . . . . . . 5620 1 111 . 1 1 10 10 ILE C C 13 175.6 0.5 . 1 . . . . . . . . 5620 1 112 . 1 1 11 11 GLU N N 15 120.5 0.5 . 1 . . . . . . . . 5620 1 113 . 1 1 11 11 GLU H H 1 7.56 0.05 . 1 . . . . . . . . 5620 1 114 . 1 1 11 11 GLU CA C 13 56.8 0.5 . 1 . . . . . . . . 5620 1 115 . 1 1 11 11 GLU HA H 1 4.56 0.05 . 1 . . . . . . . . 5620 1 116 . 1 1 11 11 GLU CB C 13 34.4 0.5 . 1 . . . . . . . . 5620 1 117 . 1 1 11 11 GLU HB2 H 1 2.04 0.05 . 2 . . . . . . . . 5620 1 118 . 1 1 11 11 GLU HB3 H 1 1.78 0.05 . 2 . . . . . . . . 5620 1 119 . 1 1 11 11 GLU CG C 13 36.7 0.5 . 1 . . . . . . . . 5620 1 120 . 1 1 11 11 GLU HG2 H 1 2.28 0.05 . 2 . . . . . . . . 5620 1 121 . 1 1 11 11 GLU HG3 H 1 1.98 0.05 . 2 . . . . . . . . 5620 1 122 . 1 1 11 11 GLU C C 13 174.4 0.5 . 1 . . . . . . . . 5620 1 123 . 1 1 12 12 VAL N N 15 127.4 0.5 . 1 . . . . . . . . 5620 1 124 . 1 1 12 12 VAL H H 1 9.17 0.05 . 1 . . . . . . . . 5620 1 125 . 1 1 12 12 VAL CA C 13 62.6 0.5 . 1 . . . . . . . . 5620 1 126 . 1 1 12 12 VAL HA H 1 4.27 0.05 . 1 . . . . . . . . 5620 1 127 . 1 1 12 12 VAL CB C 13 32.8 0.5 . 1 . . . . . . . . 5620 1 128 . 1 1 12 12 VAL HB H 1 2.06 0.05 . 1 . . . . . . . . 5620 1 129 . 1 1 12 12 VAL HG11 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 130 . 1 1 12 12 VAL HG12 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 131 . 1 1 12 12 VAL HG13 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 132 . 1 1 12 12 VAL HG21 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 133 . 1 1 12 12 VAL HG22 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 134 . 1 1 12 12 VAL HG23 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 135 . 1 1 12 12 VAL CG1 C 13 22.0 0.5 . 1 . . . . . . . . 5620 1 136 . 1 1 12 12 VAL CG2 C 13 21.2 0.5 . 1 . . . . . . . . 5620 1 137 . 1 1 12 12 VAL C C 13 175.5 0.5 . 1 . . . . . . . . 5620 1 138 . 1 1 13 13 LEU N N 15 129.0 0.5 . 1 . . . . . . . . 5620 1 139 . 1 1 13 13 LEU H H 1 8.83 0.05 . 1 . . . . . . . . 5620 1 140 . 1 1 13 13 LEU CA C 13 55.8 0.5 . 1 . . . . . . . . 5620 1 141 . 1 1 13 13 LEU HA H 1 4.47 0.05 . 1 . . . . . . . . 5620 1 142 . 1 1 13 13 LEU CB C 13 42.8 0.5 . 1 . . . . . . . . 5620 1 143 . 1 1 13 13 LEU HB2 H 1 1.65 0.05 . 2 . . . . . . . . 5620 1 144 . 1 1 13 13 LEU HB3 H 1 1.56 0.05 . 2 . . . . . . . . 5620 1 145 . 1 1 13 13 LEU CG C 13 28.0 0.5 . 1 . . . . . . . . 5620 1 146 . 1 1 13 13 LEU HG H 1 1.50 0.05 . 1 . . . . . . . . 5620 1 147 . 1 1 13 13 LEU HD11 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 148 . 1 1 13 13 LEU HD12 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 149 . 1 1 13 13 LEU HD13 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 150 . 1 1 13 13 LEU HD21 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 151 . 1 1 13 13 LEU HD22 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 152 . 1 1 13 13 LEU HD23 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 153 . 1 1 13 13 LEU CD1 C 13 25.7 0.5 . 1 . . . . . . . . 5620 1 154 . 1 1 13 13 LEU CD2 C 13 23.9 0.5 . 1 . . . . . . . . 5620 1 155 . 1 1 13 13 LEU C C 13 176.8 0.5 . 1 . . . . . . . . 5620 1 156 . 1 1 14 14 LYS N N 15 119.6 0.5 . 1 . . . . . . . . 5620 1 157 . 1 1 14 14 LYS H H 1 8.07 0.05 . 1 . . . . . . . . 5620 1 158 . 1 1 14 14 LYS CA C 13 56.4 0.5 . 1 . . . . . . . . 5620 1 159 . 1 1 14 14 LYS HA H 1 4.52 0.05 . 1 . . . . . . . . 5620 1 160 . 1 1 14 14 LYS CB C 13 34.2 0.5 . 1 . . . . . . . . 5620 1 161 . 1 1 14 14 LYS HB2 H 1 1.89 0.05 . 2 . . . . . . . . 5620 1 162 . 1 1 14 14 LYS HB3 H 1 1.74 0.05 . 2 . . . . . . . . 5620 1 163 . 1 1 14 14 LYS CG C 13 25.0 0.5 . 1 . . . . . . . . 5620 1 164 . 1 1 14 14 LYS HG2 H 1 1.37 0.05 . 1 . . . . . . . . 5620 1 165 . 1 1 14 14 LYS HG3 H 1 1.37 0.05 . 1 . . . . . . . . 5620 1 166 . 1 1 14 14 LYS CD C 13 29.7 0.5 . 1 . . . . . . . . 5620 1 167 . 1 1 14 14 LYS HD2 H 1 1.67 0.05 . 1 . . . . . . . . 5620 1 168 . 1 1 14 14 LYS HD3 H 1 1.67 0.05 . 1 . . . . . . . . 5620 1 169 . 1 1 14 14 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . 5620 1 170 . 1 1 14 14 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 5620 1 171 . 1 1 14 14 LYS HE3 H 1 2.97 0.05 . 1 . . . . . . . . 5620 1 172 . 1 1 14 14 LYS C C 13 175.7 0.5 . 1 . . . . . . . . 5620 1 173 . 1 1 15 15 ARG N N 15 123.4 0.5 . 1 . . . . . . . . 5620 1 174 . 1 1 15 15 ARG H H 1 8.55 0.05 . 1 . . . . . . . . 5620 1 175 . 1 1 15 15 ARG CA C 13 55.9 0.5 . 1 . . . . . . . . 5620 1 176 . 1 1 15 15 ARG HA H 1 4.46 0.05 . 1 . . . . . . . . 5620 1 177 . 1 1 15 15 ARG CB C 13 31.3 0.5 . 1 . . . . . . . . 5620 1 178 . 1 1 15 15 ARG HB2 H 1 1.84 0.05 . 2 . . . . . . . . 5620 1 179 . 1 1 15 15 ARG HB3 H 1 1.75 0.05 . 2 . . . . . . . . 5620 1 180 . 1 1 15 15 ARG CG C 13 27.6 0.5 . 1 . . . . . . . . 5620 1 181 . 1 1 15 15 ARG HG2 H 1 1.62 0.05 . 2 . . . . . . . . 5620 1 182 . 1 1 15 15 ARG HG3 H 1 1.58 0.05 . 2 . . . . . . . . 5620 1 183 . 1 1 15 15 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 5620 1 184 . 1 1 15 15 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . 5620 1 185 . 1 1 15 15 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . 5620 1 186 . 1 1 15 15 ARG C C 13 175.2 0.5 . 1 . . . . . . . . 5620 1 187 . 1 1 16 16 THR N N 15 116.0 0.5 . 1 . . . . . . . . 5620 1 188 . 1 1 16 16 THR H H 1 8.02 0.05 . 1 . . . . . . . . 5620 1 189 . 1 1 16 16 THR CA C 13 59.0 0.5 . 1 . . . . . . . . 5620 1 190 . 1 1 16 16 THR HA H 1 4.44 0.05 . 1 . . . . . . . . 5620 1 191 . 1 1 16 16 THR CB C 13 71.0 0.5 . 1 . . . . . . . . 5620 1 192 . 1 1 16 16 THR HB H 1 4.08 0.05 . 1 . . . . . . . . 5620 1 193 . 1 1 16 16 THR HG21 H 1 1.17 0.05 . 1 . . . . . . . . 5620 1 194 . 1 1 16 16 THR HG22 H 1 1.17 0.05 . 1 . . . . . . . . 5620 1 195 . 1 1 16 16 THR HG23 H 1 1.17 0.05 . 1 . . . . . . . . 5620 1 196 . 1 1 16 16 THR CG2 C 13 21.4 0.5 . 1 . . . . . . . . 5620 1 197 . 1 1 18 18 MET CA C 13 56.4 0.5 . 1 . . . . . . . . 5620 1 198 . 1 1 18 18 MET HA H 1 4.51 0.05 . 1 . . . . . . . . 5620 1 199 . 1 1 18 18 MET CB C 13 32.6 0.5 . 1 . . . . . . . . 5620 1 200 . 1 1 18 18 MET HB2 H 1 2.62 0.05 . 2 . . . . . . . . 5620 1 201 . 1 1 18 18 MET HB3 H 1 2.54 0.05 . 2 . . . . . . . . 5620 1 202 . 1 1 18 18 MET CG C 13 33.4 0.5 . 1 . . . . . . . . 5620 1 203 . 1 1 18 18 MET HG2 H 1 2.13 0.05 . 2 . . . . . . . . 5620 1 204 . 1 1 18 18 MET HG3 H 1 2.05 0.05 . 2 . . . . . . . . 5620 1 205 . 1 1 18 18 MET HE1 H 1 2.09 0.05 . 1 . . . . . . . . 5620 1 206 . 1 1 18 18 MET HE2 H 1 2.09 0.05 . 1 . . . . . . . . 5620 1 207 . 1 1 18 18 MET HE3 H 1 2.09 0.05 . 1 . . . . . . . . 5620 1 208 . 1 1 18 18 MET CE C 13 17.2 0.5 . 1 . . . . . . . . 5620 1 209 . 1 1 21 21 GLU CA C 13 57.0 0.5 . 1 . . . . . . . . 5620 1 210 . 1 1 21 21 GLU HA H 1 4.31 0.05 . 1 . . . . . . . . 5620 1 211 . 1 1 21 21 GLU CB C 13 30.5 0.5 . 1 . . . . . . . . 5620 1 212 . 1 1 21 21 GLU HB2 H 1 2.11 0.05 . 2 . . . . . . . . 5620 1 213 . 1 1 21 21 GLU HB3 H 1 1.93 0.05 . 2 . . . . . . . . 5620 1 214 . 1 1 21 21 GLU CG C 13 36.5 0.5 . 1 . . . . . . . . 5620 1 215 . 1 1 21 21 GLU HG2 H 1 2.25 0.05 . 2 . . . . . . . . 5620 1 216 . 1 1 21 21 GLU HG3 H 1 2.20 0.05 . 2 . . . . . . . . 5620 1 217 . 1 1 21 21 GLU C C 13 176.2 0.5 . 1 . . . . . . . . 5620 1 218 . 1 1 22 22 VAL N N 15 121.5 0.5 . 1 . . . . . . . . 5620 1 219 . 1 1 22 22 VAL H H 1 7.97 0.05 . 1 . . . . . . . . 5620 1 220 . 1 1 22 22 VAL CA C 13 62.9 0.5 . 1 . . . . . . . . 5620 1 221 . 1 1 22 22 VAL HA H 1 4.23 0.05 . 1 . . . . . . . . 5620 1 222 . 1 1 22 22 VAL CB C 13 32.6 0.5 . 1 . . . . . . . . 5620 1 223 . 1 1 22 22 VAL HB H 1 1.94 0.05 . 1 . . . . . . . . 5620 1 224 . 1 1 22 22 VAL HG11 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 225 . 1 1 22 22 VAL HG12 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 226 . 1 1 22 22 VAL HG13 H 1 0.90 0.05 . 2 . . . . . . . . 5620 1 227 . 1 1 22 22 VAL HG21 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 228 . 1 1 22 22 VAL HG22 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 229 . 1 1 22 22 VAL HG23 H 1 0.79 0.05 . 2 . . . . . . . . 5620 1 230 . 1 1 22 22 VAL CG1 C 13 21.8 0.5 . 1 . . . . . . . . 5620 1 231 . 1 1 22 22 VAL CG2 C 13 22.0 0.5 . 1 . . . . . . . . 5620 1 232 . 1 1 22 22 VAL C C 13 175.4 0.5 . 1 . . . . . . . . 5620 1 233 . 1 1 23 23 MET N N 15 125.4 0.5 . 1 . . . . . . . . 5620 1 234 . 1 1 23 23 MET H H 1 9.04 0.05 . 1 . . . . . . . . 5620 1 235 . 1 1 23 23 MET CA C 13 54.1 0.5 . 1 . . . . . . . . 5620 1 236 . 1 1 23 23 MET HA H 1 4.92 0.05 . 1 . . . . . . . . 5620 1 237 . 1 1 23 23 MET CB C 13 34.8 0.5 . 1 . . . . . . . . 5620 1 238 . 1 1 23 23 MET HB2 H 1 1.82 0.05 . 1 . . . . . . . . 5620 1 239 . 1 1 23 23 MET HB3 H 1 1.82 0.05 . 1 . . . . . . . . 5620 1 240 . 1 1 23 23 MET CG C 13 32.6 0.5 . 1 . . . . . . . . 5620 1 241 . 1 1 23 23 MET HG2 H 1 2.51 0.05 . 1 . . . . . . . . 5620 1 242 . 1 1 23 23 MET HG3 H 1 2.51 0.05 . 1 . . . . . . . . 5620 1 243 . 1 1 23 23 MET HE1 H 1 2.07 0.05 . 1 . . . . . . . . 5620 1 244 . 1 1 23 23 MET HE2 H 1 2.07 0.05 . 1 . . . . . . . . 5620 1 245 . 1 1 23 23 MET HE3 H 1 2.07 0.05 . 1 . . . . . . . . 5620 1 246 . 1 1 23 23 MET CE C 13 17.9 0.5 . 1 . . . . . . . . 5620 1 247 . 1 1 23 23 MET C C 13 174.5 0.5 . 1 . . . . . . . . 5620 1 248 . 1 1 24 24 GLN N N 15 122.7 0.5 . 1 . . . . . . . . 5620 1 249 . 1 1 24 24 GLN H H 1 8.78 0.05 . 1 . . . . . . . . 5620 1 250 . 1 1 24 24 GLN CA C 13 55.7 0.5 . 1 . . . . . . . . 5620 1 251 . 1 1 24 24 GLN HA H 1 5.21 0.05 . 1 . . . . . . . . 5620 1 252 . 1 1 24 24 GLN CB C 13 32.0 0.5 . 1 . . . . . . . . 5620 1 253 . 1 1 24 24 GLN HB2 H 1 2.00 0.05 . 2 . . . . . . . . 5620 1 254 . 1 1 24 24 GLN HB3 H 1 1.91 0.05 . 2 . . . . . . . . 5620 1 255 . 1 1 24 24 GLN CG C 13 35.4 0.5 . 1 . . . . . . . . 5620 1 256 . 1 1 24 24 GLN HG2 H 1 2.27 0.05 . 2 . . . . . . . . 5620 1 257 . 1 1 24 24 GLN HG3 H 1 2.02 0.05 . 2 . . . . . . . . 5620 1 258 . 1 1 24 24 GLN NE2 N 15 111.5 0.5 . 1 . . . . . . . . 5620 1 259 . 1 1 24 24 GLN HE21 H 1 7.59 0.05 . 2 . . . . . . . . 5620 1 260 . 1 1 24 24 GLN HE22 H 1 6.71 0.05 . 2 . . . . . . . . 5620 1 261 . 1 1 24 24 GLN C C 13 175.6 0.5 . 1 . . . . . . . . 5620 1 262 . 1 1 25 25 VAL N N 15 118.2 0.5 . 1 . . . . . . . . 5620 1 263 . 1 1 25 25 VAL H H 1 9.25 0.05 . 1 . . . . . . . . 5620 1 264 . 1 1 25 25 VAL CA C 13 58.5 0.5 . 1 . . . . . . . . 5620 1 265 . 1 1 25 25 VAL HA H 1 5.23 0.05 . 1 . . . . . . . . 5620 1 266 . 1 1 25 25 VAL CB C 13 35.4 0.5 . 1 . . . . . . . . 5620 1 267 . 1 1 25 25 VAL HB H 1 2.26 0.05 . 1 . . . . . . . . 5620 1 268 . 1 1 25 25 VAL HG11 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 269 . 1 1 25 25 VAL HG12 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 270 . 1 1 25 25 VAL HG13 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 271 . 1 1 25 25 VAL HG21 H 1 0.70 0.05 . 2 . . . . . . . . 5620 1 272 . 1 1 25 25 VAL HG22 H 1 0.70 0.05 . 2 . . . . . . . . 5620 1 273 . 1 1 25 25 VAL HG23 H 1 0.70 0.05 . 2 . . . . . . . . 5620 1 274 . 1 1 25 25 VAL CG1 C 13 23.5 0.5 . 1 . . . . . . . . 5620 1 275 . 1 1 25 25 VAL CG2 C 13 19.6 0.5 . 1 . . . . . . . . 5620 1 276 . 1 1 25 25 VAL C C 13 174.7 0.5 . 1 . . . . . . . . 5620 1 277 . 1 1 26 26 LYS N N 15 120.1 0.5 . 1 . . . . . . . . 5620 1 278 . 1 1 26 26 LYS H H 1 8.70 0.05 . 1 . . . . . . . . 5620 1 279 . 1 1 26 26 LYS CA C 13 55.1 0.5 . 1 . . . . . . . . 5620 1 280 . 1 1 26 26 LYS HA H 1 5.33 0.05 . 1 . . . . . . . . 5620 1 281 . 1 1 26 26 LYS CB C 13 35.2 0.5 . 1 . . . . . . . . 5620 1 282 . 1 1 26 26 LYS HB2 H 1 1.64 0.05 . 2 . . . . . . . . 5620 1 283 . 1 1 26 26 LYS HB3 H 1 1.58 0.05 . 2 . . . . . . . . 5620 1 284 . 1 1 26 26 LYS CG C 13 25.7 0.5 . 1 . . . . . . . . 5620 1 285 . 1 1 26 26 LYS HG2 H 1 1.44 0.05 . 2 . . . . . . . . 5620 1 286 . 1 1 26 26 LYS HG3 H 1 1.35 0.05 . 2 . . . . . . . . 5620 1 287 . 1 1 26 26 LYS CD C 13 29.6 0.5 . 1 . . . . . . . . 5620 1 288 . 1 1 26 26 LYS HD2 H 1 1.60 0.05 . 1 . . . . . . . . 5620 1 289 . 1 1 26 26 LYS HD3 H 1 1.60 0.05 . 1 . . . . . . . . 5620 1 290 . 1 1 26 26 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . 5620 1 291 . 1 1 26 26 LYS HE2 H 1 2.82 0.05 . 1 . . . . . . . . 5620 1 292 . 1 1 26 26 LYS HE3 H 1 2.82 0.05 . 1 . . . . . . . . 5620 1 293 . 1 1 26 26 LYS C C 13 176.9 0.5 . 1 . . . . . . . . 5620 1 294 . 1 1 27 27 CYS N N 15 121.1 0.5 . 1 . . . . . . . . 5620 1 295 . 1 1 27 27 CYS H H 1 9.59 0.05 . 1 . . . . . . . . 5620 1 296 . 1 1 27 27 CYS CA C 13 55.2 0.5 . 1 . . . . . . . . 5620 1 297 . 1 1 27 27 CYS HA H 1 5.70 0.05 . 1 . . . . . . . . 5620 1 298 . 1 1 27 27 CYS CB C 13 32.2 0.5 . 1 . . . . . . . . 5620 1 299 . 1 1 27 27 CYS HB2 H 1 2.44 0.05 . 1 . . . . . . . . 5620 1 300 . 1 1 27 27 CYS HB3 H 1 2.44 0.05 . 1 . . . . . . . . 5620 1 301 . 1 1 27 27 CYS C C 13 171.3 0.5 . 1 . . . . . . . . 5620 1 302 . 1 1 28 28 ARG N N 15 123.0 0.5 . 1 . . . . . . . . 5620 1 303 . 1 1 28 28 ARG H H 1 9.22 0.05 . 1 . . . . . . . . 5620 1 304 . 1 1 28 28 ARG CA C 13 54.0 0.5 . 1 . . . . . . . . 5620 1 305 . 1 1 28 28 ARG HA H 1 5.22 0.05 . 1 . . . . . . . . 5620 1 306 . 1 1 28 28 ARG CB C 13 34.1 0.5 . 1 . . . . . . . . 5620 1 307 . 1 1 28 28 ARG HB2 H 1 1.85 0.05 . 2 . . . . . . . . 5620 1 308 . 1 1 28 28 ARG HB3 H 1 1.44 0.05 . 2 . . . . . . . . 5620 1 309 . 1 1 28 28 ARG CG C 13 27.4 0.5 . 1 . . . . . . . . 5620 1 310 . 1 1 28 28 ARG HG2 H 1 1.37 0.05 . 1 . . . . . . . . 5620 1 311 . 1 1 28 28 ARG HG3 H 1 1.37 0.05 . 1 . . . . . . . . 5620 1 312 . 1 1 28 28 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 5620 1 313 . 1 1 28 28 ARG HD2 H 1 3.24 0.05 . 2 . . . . . . . . 5620 1 314 . 1 1 28 28 ARG HD3 H 1 3.19 0.05 . 2 . . . . . . . . 5620 1 315 . 1 1 28 28 ARG C C 13 175.9 0.5 . 1 . . . . . . . . 5620 1 316 . 1 1 29 29 ILE N N 15 128.5 0.5 . 1 . . . . . . . . 5620 1 317 . 1 1 29 29 ILE H H 1 8.90 0.05 . 1 . . . . . . . . 5620 1 318 . 1 1 29 29 ILE CA C 13 63.3 0.5 . 1 . . . . . . . . 5620 1 319 . 1 1 29 29 ILE HA H 1 3.92 0.05 . 1 . . . . . . . . 5620 1 320 . 1 1 29 29 ILE CB C 13 36.7 0.5 . 1 . . . . . . . . 5620 1 321 . 1 1 29 29 ILE HB H 1 2.07 0.05 . 1 . . . . . . . . 5620 1 322 . 1 1 29 29 ILE HG21 H 1 0.99 0.05 . 1 . . . . . . . . 5620 1 323 . 1 1 29 29 ILE HG22 H 1 0.99 0.05 . 1 . . . . . . . . 5620 1 324 . 1 1 29 29 ILE HG23 H 1 0.99 0.05 . 1 . . . . . . . . 5620 1 325 . 1 1 29 29 ILE CG2 C 13 19.4 0.5 . 1 . . . . . . . . 5620 1 326 . 1 1 29 29 ILE CG1 C 13 28.7 0.5 . 1 . . . . . . . . 5620 1 327 . 1 1 29 29 ILE HG12 H 1 1.57 0.05 . 2 . . . . . . . . 5620 1 328 . 1 1 29 29 ILE HG13 H 1 1.12 0.05 . 2 . . . . . . . . 5620 1 329 . 1 1 29 29 ILE HD11 H 1 0.84 0.05 . 1 . . . . . . . . 5620 1 330 . 1 1 29 29 ILE HD12 H 1 0.84 0.05 . 1 . . . . . . . . 5620 1 331 . 1 1 29 29 ILE HD13 H 1 0.84 0.05 . 1 . . . . . . . . 5620 1 332 . 1 1 29 29 ILE CD1 C 13 12.8 0.5 . 1 . . . . . . . . 5620 1 333 . 1 1 29 29 ILE C C 13 178.7 0.5 . 1 . . . . . . . . 5620 1 334 . 1 1 30 30 LEU N N 15 128.0 0.5 . 1 . . . . . . . . 5620 1 335 . 1 1 30 30 LEU H H 1 8.72 0.05 . 1 . . . . . . . . 5620 1 336 . 1 1 30 30 LEU CA C 13 56.3 0.5 . 1 . . . . . . . . 5620 1 337 . 1 1 30 30 LEU HA H 1 4.37 0.05 . 1 . . . . . . . . 5620 1 338 . 1 1 30 30 LEU CB C 13 44.3 0.5 . 1 . . . . . . . . 5620 1 339 . 1 1 30 30 LEU HB2 H 1 1.61 0.05 . 2 . . . . . . . . 5620 1 340 . 1 1 30 30 LEU HB3 H 1 1.55 0.05 . 2 . . . . . . . . 5620 1 341 . 1 1 30 30 LEU CG C 13 27.0 0.5 . 1 . . . . . . . . 5620 1 342 . 1 1 30 30 LEU HG H 1 1.76 0.05 . 1 . . . . . . . . 5620 1 343 . 1 1 30 30 LEU HD11 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 344 . 1 1 30 30 LEU HD12 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 345 . 1 1 30 30 LEU HD13 H 1 0.85 0.05 . 2 . . . . . . . . 5620 1 346 . 1 1 30 30 LEU HD21 H 1 0.88 0.05 . 2 . . . . . . . . 5620 1 347 . 1 1 30 30 LEU HD22 H 1 0.88 0.05 . 2 . . . . . . . . 5620 1 348 . 1 1 30 30 LEU HD23 H 1 0.88 0.05 . 2 . . . . . . . . 5620 1 349 . 1 1 30 30 LEU CD1 C 13 26.3 0.5 . 1 . . . . . . . . 5620 1 350 . 1 1 30 30 LEU CD2 C 13 22.9 0.5 . 1 . . . . . . . . 5620 1 351 . 1 1 30 30 LEU C C 13 176.3 0.5 . 1 . . . . . . . . 5620 1 352 . 1 1 31 31 ASP N N 15 116.5 0.5 . 1 . . . . . . . . 5620 1 353 . 1 1 31 31 ASP H H 1 7.48 0.05 . 1 . . . . . . . . 5620 1 354 . 1 1 31 31 ASP CA C 13 53.3 0.5 . 1 . . . . . . . . 5620 1 355 . 1 1 31 31 ASP HA H 1 4.88 0.05 . 1 . . . . . . . . 5620 1 356 . 1 1 31 31 ASP CB C 13 45.5 0.5 . 1 . . . . . . . . 5620 1 357 . 1 1 31 31 ASP HB2 H 1 2.57 0.05 . 1 . . . . . . . . 5620 1 358 . 1 1 31 31 ASP HB3 H 1 2.57 0.05 . 1 . . . . . . . . 5620 1 359 . 1 1 31 31 ASP C C 13 174.8 0.5 . 1 . . . . . . . . 5620 1 360 . 1 1 32 32 GLY N N 15 106.3 0.5 . 1 . . . . . . . . 5620 1 361 . 1 1 32 32 GLY H H 1 8.51 0.05 . 1 . . . . . . . . 5620 1 362 . 1 1 32 32 GLY CA C 13 44.9 0.5 . 1 . . . . . . . . 5620 1 363 . 1 1 32 32 GLY HA2 H 1 4.37 0.05 . 2 . . . . . . . . 5620 1 364 . 1 1 32 32 GLY HA3 H 1 3.86 0.05 . 2 . . . . . . . . 5620 1 365 . 1 1 33 33 ARG CA C 13 58.9 0.5 . 1 . . . . . . . . 5620 1 366 . 1 1 33 33 ARG HA H 1 4.02 0.05 . 1 . . . . . . . . 5620 1 367 . 1 1 33 33 ARG CB C 13 30.4 0.5 . 1 . . . . . . . . 5620 1 368 . 1 1 33 33 ARG HB2 H 1 1.87 0.05 . 2 . . . . . . . . 5620 1 369 . 1 1 33 33 ARG HB3 H 1 1.76 0.05 . 2 . . . . . . . . 5620 1 370 . 1 1 33 33 ARG CG C 13 26.8 0.5 . 1 . . . . . . . . 5620 1 371 . 1 1 33 33 ARG HG2 H 1 1.64 0.05 . 1 . . . . . . . . 5620 1 372 . 1 1 33 33 ARG HG3 H 1 1.64 0.05 . 1 . . . . . . . . 5620 1 373 . 1 1 33 33 ARG CD C 13 43.6 0.5 . 1 . . . . . . . . 5620 1 374 . 1 1 33 33 ARG HD2 H 1 3.18 0.05 . 1 . . . . . . . . 5620 1 375 . 1 1 33 33 ARG HD3 H 1 3.18 0.05 . 1 . . . . . . . . 5620 1 376 . 1 1 33 33 ARG C C 13 177.6 0.5 . 1 . . . . . . . . 5620 1 377 . 1 1 34 34 ASP N N 15 118.5 0.5 . 1 . . . . . . . . 5620 1 378 . 1 1 34 34 ASP H H 1 9.14 0.05 . 1 . . . . . . . . 5620 1 379 . 1 1 34 34 ASP CA C 13 53.9 0.5 . 1 . . . . . . . . 5620 1 380 . 1 1 34 34 ASP HA H 1 4.92 0.05 . 1 . . . . . . . . 5620 1 381 . 1 1 34 34 ASP CB C 13 41.4 0.5 . 1 . . . . . . . . 5620 1 382 . 1 1 34 34 ASP HB2 H 1 2.90 0.05 . 2 . . . . . . . . 5620 1 383 . 1 1 34 34 ASP HB3 H 1 2.64 0.05 . 2 . . . . . . . . 5620 1 384 . 1 1 34 34 ASP C C 13 174.4 0.5 . 1 . . . . . . . . 5620 1 385 . 1 1 35 35 LYS N N 15 119.3 0.5 . 1 . . . . . . . . 5620 1 386 . 1 1 35 35 LYS H H 1 7.14 0.05 . 1 . . . . . . . . 5620 1 387 . 1 1 35 35 LYS CA C 13 59.3 0.5 . 1 . . . . . . . . 5620 1 388 . 1 1 35 35 LYS HA H 1 3.34 0.05 . 1 . . . . . . . . 5620 1 389 . 1 1 35 35 LYS CB C 13 32.6 0.5 . 1 . . . . . . . . 5620 1 390 . 1 1 35 35 LYS HB2 H 1 1.72 0.05 . 2 . . . . . . . . 5620 1 391 . 1 1 35 35 LYS HB3 H 1 1.66 0.05 . 2 . . . . . . . . 5620 1 392 . 1 1 35 35 LYS CG C 13 24.8 0.5 . 1 . . . . . . . . 5620 1 393 . 1 1 35 35 LYS HG2 H 1 1.24 0.05 . 2 . . . . . . . . 5620 1 394 . 1 1 35 35 LYS HG3 H 1 1.14 0.05 . 2 . . . . . . . . 5620 1 395 . 1 1 35 35 LYS CD C 13 30.4 0.5 . 1 . . . . . . . . 5620 1 396 . 1 1 35 35 LYS HD2 H 1 1.73 0.05 . 1 . . . . . . . . 5620 1 397 . 1 1 35 35 LYS HD3 H 1 1.73 0.05 . 1 . . . . . . . . 5620 1 398 . 1 1 35 35 LYS CE C 13 42.3 0.5 . 1 . . . . . . . . 5620 1 399 . 1 1 35 35 LYS HE2 H 1 3.02 0.05 . 1 . . . . . . . . 5620 1 400 . 1 1 35 35 LYS HE3 H 1 3.02 0.05 . 1 . . . . . . . . 5620 1 401 . 1 1 35 35 LYS C C 13 177.3 0.5 . 1 . . . . . . . . 5620 1 402 . 1 1 36 36 GLY N N 15 115.5 0.5 . 1 . . . . . . . . 5620 1 403 . 1 1 36 36 GLY H H 1 8.95 0.05 . 1 . . . . . . . . 5620 1 404 . 1 1 36 36 GLY CA C 13 45.1 0.5 . 1 . . . . . . . . 5620 1 405 . 1 1 36 36 GLY HA2 H 1 4.47 0.05 . 2 . . . . . . . . 5620 1 406 . 1 1 36 36 GLY HA3 H 1 3.45 0.05 . 2 . . . . . . . . 5620 1 407 . 1 1 36 36 GLY C C 13 174.2 0.5 . 1 . . . . . . . . 5620 1 408 . 1 1 37 37 ARG N N 15 122.6 0.5 . 1 . . . . . . . . 5620 1 409 . 1 1 37 37 ARG H H 1 8.30 0.05 . 1 . . . . . . . . 5620 1 410 . 1 1 37 37 ARG CA C 13 57.4 0.5 . 1 . . . . . . . . 5620 1 411 . 1 1 37 37 ARG HA H 1 4.21 0.05 . 1 . . . . . . . . 5620 1 412 . 1 1 37 37 ARG CB C 13 31.2 0.5 . 1 . . . . . . . . 5620 1 413 . 1 1 37 37 ARG HB2 H 1 1.95 0.05 . 2 . . . . . . . . 5620 1 414 . 1 1 37 37 ARG HB3 H 1 1.82 0.05 . 2 . . . . . . . . 5620 1 415 . 1 1 37 37 ARG CG C 13 28.0 0.5 . 1 . . . . . . . . 5620 1 416 . 1 1 37 37 ARG HG2 H 1 1.73 0.05 . 2 . . . . . . . . 5620 1 417 . 1 1 37 37 ARG HG3 H 1 1.51 0.05 . 2 . . . . . . . . 5620 1 418 . 1 1 37 37 ARG CD C 13 44.0 0.5 . 1 . . . . . . . . 5620 1 419 . 1 1 37 37 ARG HD2 H 1 3.18 0.05 . 2 . . . . . . . . 5620 1 420 . 1 1 37 37 ARG HD3 H 1 3.13 0.05 . 2 . . . . . . . . 5620 1 421 . 1 1 37 37 ARG C C 13 175.0 0.5 . 1 . . . . . . . . 5620 1 422 . 1 1 38 38 ILE N N 15 123.9 0.5 . 1 . . . . . . . . 5620 1 423 . 1 1 38 38 ILE H H 1 8.34 0.05 . 1 . . . . . . . . 5620 1 424 . 1 1 38 38 ILE CA C 13 59.2 0.5 . 1 . . . . . . . . 5620 1 425 . 1 1 38 38 ILE HA H 1 5.17 0.05 . 1 . . . . . . . . 5620 1 426 . 1 1 38 38 ILE CB C 13 38.5 0.5 . 1 . . . . . . . . 5620 1 427 . 1 1 38 38 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 5620 1 428 . 1 1 38 38 ILE HG21 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 429 . 1 1 38 38 ILE HG22 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 430 . 1 1 38 38 ILE HG23 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 431 . 1 1 38 38 ILE CG2 C 13 18.1 0.5 . 1 . . . . . . . . 5620 1 432 . 1 1 38 38 ILE CG1 C 13 27.8 0.5 . 1 . . . . . . . . 5620 1 433 . 1 1 38 38 ILE HG12 H 1 1.65 0.05 . 2 . . . . . . . . 5620 1 434 . 1 1 38 38 ILE HG13 H 1 1.10 0.05 . 2 . . . . . . . . 5620 1 435 . 1 1 38 38 ILE HD11 H 1 0.82 0.05 . 1 . . . . . . . . 5620 1 436 . 1 1 38 38 ILE HD12 H 1 0.82 0.05 . 1 . . . . . . . . 5620 1 437 . 1 1 38 38 ILE HD13 H 1 0.82 0.05 . 1 . . . . . . . . 5620 1 438 . 1 1 38 38 ILE CD1 C 13 12.6 0.5 . 1 . . . . . . . . 5620 1 439 . 1 1 38 38 ILE C C 13 176.3 0.5 . 1 . . . . . . . . 5620 1 440 . 1 1 39 39 LEU N N 15 127.7 0.5 . 1 . . . . . . . . 5620 1 441 . 1 1 39 39 LEU H H 1 9.03 0.05 . 1 . . . . . . . . 5620 1 442 . 1 1 39 39 LEU CA C 13 53.7 0.5 . 1 . . . . . . . . 5620 1 443 . 1 1 39 39 LEU HA H 1 4.88 0.05 . 1 . . . . . . . . 5620 1 444 . 1 1 39 39 LEU CB C 13 45.6 0.5 . 1 . . . . . . . . 5620 1 445 . 1 1 39 39 LEU HB2 H 1 1.49 0.05 . 1 . . . . . . . . 5620 1 446 . 1 1 39 39 LEU HB3 H 1 1.49 0.05 . 1 . . . . . . . . 5620 1 447 . 1 1 39 39 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 5620 1 448 . 1 1 39 39 LEU HG H 1 1.47 0.05 . 1 . . . . . . . . 5620 1 449 . 1 1 39 39 LEU HD11 H 1 0.73 0.05 . 2 . . . . . . . . 5620 1 450 . 1 1 39 39 LEU HD12 H 1 0.73 0.05 . 2 . . . . . . . . 5620 1 451 . 1 1 39 39 LEU HD13 H 1 0.73 0.05 . 2 . . . . . . . . 5620 1 452 . 1 1 39 39 LEU HD21 H 1 0.80 0.05 . 2 . . . . . . . . 5620 1 453 . 1 1 39 39 LEU HD22 H 1 0.80 0.05 . 2 . . . . . . . . 5620 1 454 . 1 1 39 39 LEU HD23 H 1 0.80 0.05 . 2 . . . . . . . . 5620 1 455 . 1 1 39 39 LEU CD1 C 13 26.3 0.5 . 1 . . . . . . . . 5620 1 456 . 1 1 39 39 LEU CD2 C 13 24.6 0.5 . 1 . . . . . . . . 5620 1 457 . 1 1 39 39 LEU C C 13 175.9 0.5 . 1 . . . . . . . . 5620 1 458 . 1 1 40 40 THR N N 15 117.8 0.5 . 1 . . . . . . . . 5620 1 459 . 1 1 40 40 THR H H 1 8.60 0.05 . 1 . . . . . . . . 5620 1 460 . 1 1 40 40 THR CA C 13 61.8 0.5 . 1 . . . . . . . . 5620 1 461 . 1 1 40 40 THR HA H 1 5.42 0.05 . 1 . . . . . . . . 5620 1 462 . 1 1 40 40 THR CB C 13 69.9 0.5 . 1 . . . . . . . . 5620 1 463 . 1 1 40 40 THR HB H 1 3.94 0.05 . 1 . . . . . . . . 5620 1 464 . 1 1 40 40 THR HG21 H 1 1.05 0.05 . 1 . . . . . . . . 5620 1 465 . 1 1 40 40 THR HG22 H 1 1.05 0.05 . 1 . . . . . . . . 5620 1 466 . 1 1 40 40 THR HG23 H 1 1.05 0.05 . 1 . . . . . . . . 5620 1 467 . 1 1 40 40 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 5620 1 468 . 1 1 40 40 THR C C 13 175.2 0.5 . 1 . . . . . . . . 5620 1 469 . 1 1 41 41 ARG N N 15 125.6 0.5 . 1 . . . . . . . . 5620 1 470 . 1 1 41 41 ARG H H 1 9.07 0.05 . 1 . . . . . . . . 5620 1 471 . 1 1 41 41 ARG HA H 1 4.77 0.05 . 1 . . . . . . . . 5620 1 472 . 1 1 41 41 ARG HB2 H 1 1.75 0.05 . 1 . . . . . . . . 5620 1 473 . 1 1 41 41 ARG HB3 H 1 1.75 0.05 . 1 . . . . . . . . 5620 1 474 . 1 1 41 41 ARG HG2 H 1 1.35 0.05 . 1 . . . . . . . . 5620 1 475 . 1 1 41 41 ARG HG3 H 1 1.35 0.05 . 1 . . . . . . . . 5620 1 476 . 1 1 41 41 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 5620 1 477 . 1 1 41 41 ARG HD2 H 1 3.19 0.05 . 1 . . . . . . . . 5620 1 478 . 1 1 41 41 ARG HD3 H 1 3.19 0.05 . 1 . . . . . . . . 5620 1 479 . 1 1 41 41 ARG C C 13 173.9 0.5 . 1 . . . . . . . . 5620 1 480 . 1 1 42 42 ASN N N 15 121.2 0.5 . 1 . . . . . . . . 5620 1 481 . 1 1 42 42 ASN H H 1 8.75 0.05 . 1 . . . . . . . . 5620 1 482 . 1 1 42 42 ASN CA C 13 52.4 0.5 . 1 . . . . . . . . 5620 1 483 . 1 1 42 42 ASN HA H 1 5.66 0.05 . 1 . . . . . . . . 5620 1 484 . 1 1 42 42 ASN CB C 13 39.5 0.5 . 1 . . . . . . . . 5620 1 485 . 1 1 42 42 ASN HB2 H 1 2.74 0.05 . 2 . . . . . . . . 5620 1 486 . 1 1 42 42 ASN HB3 H 1 2.35 0.05 . 2 . . . . . . . . 5620 1 487 . 1 1 42 42 ASN ND2 N 15 112.2 0.5 . 1 . . . . . . . . 5620 1 488 . 1 1 42 42 ASN HD21 H 1 7.38 0.05 . 2 . . . . . . . . 5620 1 489 . 1 1 42 42 ASN HD22 H 1 6.82 0.05 . 2 . . . . . . . . 5620 1 490 . 1 1 42 42 ASN C C 13 175.3 0.5 . 1 . . . . . . . . 5620 1 491 . 1 1 43 43 VAL N N 15 119.3 0.5 . 1 . . . . . . . . 5620 1 492 . 1 1 43 43 VAL H H 1 9.17 0.05 . 1 . . . . . . . . 5620 1 493 . 1 1 43 43 VAL CA C 13 59.4 0.5 . 1 . . . . . . . . 5620 1 494 . 1 1 43 43 VAL HA H 1 4.66 0.05 . 1 . . . . . . . . 5620 1 495 . 1 1 43 43 VAL CB C 13 36.1 0.5 . 1 . . . . . . . . 5620 1 496 . 1 1 43 43 VAL HB H 1 2.06 0.05 . 1 . . . . . . . . 5620 1 497 . 1 1 43 43 VAL HG11 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 498 . 1 1 43 43 VAL HG12 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 499 . 1 1 43 43 VAL HG13 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 500 . 1 1 43 43 VAL HG21 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 501 . 1 1 43 43 VAL HG22 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 502 . 1 1 43 43 VAL HG23 H 1 0.71 0.05 . 2 . . . . . . . . 5620 1 503 . 1 1 43 43 VAL CG1 C 13 22.0 0.5 . 1 . . . . . . . . 5620 1 504 . 1 1 43 43 VAL CG2 C 13 20.3 0.5 . 1 . . . . . . . . 5620 1 505 . 1 1 43 43 VAL C C 13 174.0 0.5 . 1 . . . . . . . . 5620 1 506 . 1 1 44 44 MET N N 15 122.5 0.5 . 1 . . . . . . . . 5620 1 507 . 1 1 44 44 MET H H 1 8.52 0.05 . 1 . . . . . . . . 5620 1 508 . 1 1 44 44 MET CA C 13 55.5 0.5 . 1 . . . . . . . . 5620 1 509 . 1 1 44 44 MET HA H 1 4.67 0.05 . 1 . . . . . . . . 5620 1 510 . 1 1 44 44 MET CB C 13 32.4 0.5 . 1 . . . . . . . . 5620 1 511 . 1 1 44 44 MET HB2 H 1 2.75 0.05 . 2 . . . . . . . . 5620 1 512 . 1 1 44 44 MET HB3 H 1 2.67 0.05 . 2 . . . . . . . . 5620 1 513 . 1 1 44 44 MET CG C 13 32.2 0.5 . 1 . . . . . . . . 5620 1 514 . 1 1 44 44 MET HG2 H 1 2.03 0.05 . 2 . . . . . . . . 5620 1 515 . 1 1 44 44 MET HG3 H 1 2.00 0.05 . 2 . . . . . . . . 5620 1 516 . 1 1 44 44 MET C C 13 176.7 0.5 . 1 . . . . . . . . 5620 1 517 . 1 1 45 45 GLY N N 15 110.9 0.5 . 1 . . . . . . . . 5620 1 518 . 1 1 45 45 GLY H H 1 8.45 0.05 . 1 . . . . . . . . 5620 1 519 . 1 1 45 45 GLY CA C 13 44.4 0.5 . 1 . . . . . . . . 5620 1 520 . 1 1 45 45 GLY HA2 H 1 3.95 0.05 . 2 . . . . . . . . 5620 1 521 . 1 1 45 45 GLY HA3 H 1 3.84 0.05 . 2 . . . . . . . . 5620 1 522 . 1 1 46 46 PRO CD C 13 50.7 0.5 . 1 . . . . . . . . 5620 1 523 . 1 1 46 46 PRO CA C 13 62.6 0.5 . 1 . . . . . . . . 5620 1 524 . 1 1 46 46 PRO HA H 1 4.55 0.05 . 1 . . . . . . . . 5620 1 525 . 1 1 46 46 PRO CB C 13 35.0 0.5 . 1 . . . . . . . . 5620 1 526 . 1 1 46 46 PRO HB2 H 1 2.37 0.05 . 2 . . . . . . . . 5620 1 527 . 1 1 46 46 PRO HB3 H 1 2.04 0.05 . 2 . . . . . . . . 5620 1 528 . 1 1 46 46 PRO CG C 13 25.3 0.5 . 1 . . . . . . . . 5620 1 529 . 1 1 46 46 PRO HG2 H 1 1.95 0.05 . 1 . . . . . . . . 5620 1 530 . 1 1 46 46 PRO HG3 H 1 1.95 0.05 . 1 . . . . . . . . 5620 1 531 . 1 1 46 46 PRO HD2 H 1 3.56 0.05 . 1 . . . . . . . . 5620 1 532 . 1 1 46 46 PRO HD3 H 1 3.56 0.05 . 1 . . . . . . . . 5620 1 533 . 1 1 46 46 PRO C C 13 175.5 0.5 . 1 . . . . . . . . 5620 1 534 . 1 1 47 47 ILE N N 15 122.2 0.5 . 1 . . . . . . . . 5620 1 535 . 1 1 47 47 ILE H H 1 8.14 0.05 . 1 . . . . . . . . 5620 1 536 . 1 1 47 47 ILE CA C 13 59.0 0.5 . 1 . . . . . . . . 5620 1 537 . 1 1 47 47 ILE HA H 1 4.60 0.05 . 1 . . . . . . . . 5620 1 538 . 1 1 47 47 ILE CB C 13 42.5 0.5 . 1 . . . . . . . . 5620 1 539 . 1 1 47 47 ILE HB H 1 1.74 0.05 . 1 . . . . . . . . 5620 1 540 . 1 1 47 47 ILE HG21 H 1 0.76 0.05 . 1 . . . . . . . . 5620 1 541 . 1 1 47 47 ILE HG22 H 1 0.76 0.05 . 1 . . . . . . . . 5620 1 542 . 1 1 47 47 ILE HG23 H 1 0.76 0.05 . 1 . . . . . . . . 5620 1 543 . 1 1 47 47 ILE CG2 C 13 18.8 0.5 . 1 . . . . . . . . 5620 1 544 . 1 1 47 47 ILE CG1 C 13 29.6 0.5 . 1 . . . . . . . . 5620 1 545 . 1 1 47 47 ILE HG12 H 1 1.58 0.05 . 2 . . . . . . . . 5620 1 546 . 1 1 47 47 ILE HG13 H 1 1.18 0.05 . 2 . . . . . . . . 5620 1 547 . 1 1 47 47 ILE HD11 H 1 0.95 0.05 . 1 . . . . . . . . 5620 1 548 . 1 1 47 47 ILE HD12 H 1 0.95 0.05 . 1 . . . . . . . . 5620 1 549 . 1 1 47 47 ILE HD13 H 1 0.95 0.05 . 1 . . . . . . . . 5620 1 550 . 1 1 47 47 ILE CD1 C 13 15.1 0.5 . 1 . . . . . . . . 5620 1 551 . 1 1 47 47 ILE C C 13 171.8 0.5 . 1 . . . . . . . . 5620 1 552 . 1 1 48 48 ARG N N 15 124.6 0.5 . 1 . . . . . . . . 5620 1 553 . 1 1 48 48 ARG H H 1 8.68 0.05 . 1 . . . . . . . . 5620 1 554 . 1 1 48 48 ARG CA C 13 54.4 0.5 . 1 . . . . . . . . 5620 1 555 . 1 1 48 48 ARG HA H 1 4.57 0.05 . 1 . . . . . . . . 5620 1 556 . 1 1 48 48 ARG CB C 13 34.1 0.5 . 1 . . . . . . . . 5620 1 557 . 1 1 48 48 ARG HB2 H 1 1.83 0.05 . 2 . . . . . . . . 5620 1 558 . 1 1 48 48 ARG HB3 H 1 1.70 0.05 . 2 . . . . . . . . 5620 1 559 . 1 1 48 48 ARG CG C 13 26.7 0.5 . 1 . . . . . . . . 5620 1 560 . 1 1 48 48 ARG HG2 H 1 1.70 0.05 . 2 . . . . . . . . 5620 1 561 . 1 1 48 48 ARG HG3 H 1 1.52 0.05 . 2 . . . . . . . . 5620 1 562 . 1 1 48 48 ARG CD C 13 43.8 0.5 . 1 . . . . . . . . 5620 1 563 . 1 1 48 48 ARG HD2 H 1 3.18 0.05 . 1 . . . . . . . . 5620 1 564 . 1 1 48 48 ARG HD3 H 1 3.18 0.05 . 1 . . . . . . . . 5620 1 565 . 1 1 48 48 ARG C C 13 175.2 0.5 . 1 . . . . . . . . 5620 1 566 . 1 1 49 49 GLU N N 15 120.9 0.5 . 1 . . . . . . . . 5620 1 567 . 1 1 49 49 GLU H H 1 9.09 0.05 . 1 . . . . . . . . 5620 1 568 . 1 1 49 49 GLU CA C 13 59.4 0.5 . 1 . . . . . . . . 5620 1 569 . 1 1 49 49 GLU HA H 1 3.59 0.05 . 1 . . . . . . . . 5620 1 570 . 1 1 49 49 GLU CB C 13 28.9 0.5 . 1 . . . . . . . . 5620 1 571 . 1 1 49 49 GLU HB2 H 1 1.93 0.05 . 2 . . . . . . . . 5620 1 572 . 1 1 49 49 GLU HB3 H 1 1.87 0.05 . 2 . . . . . . . . 5620 1 573 . 1 1 49 49 GLU CG C 13 37.2 0.5 . 1 . . . . . . . . 5620 1 574 . 1 1 49 49 GLU HG2 H 1 2.29 0.05 . 2 . . . . . . . . 5620 1 575 . 1 1 49 49 GLU HG3 H 1 2.10 0.05 . 2 . . . . . . . . 5620 1 576 . 1 1 49 49 GLU C C 13 177.4 0.5 . 1 . . . . . . . . 5620 1 577 . 1 1 50 50 GLY N N 15 114.2 0.5 . 1 . . . . . . . . 5620 1 578 . 1 1 50 50 GLY H H 1 9.20 0.05 . 1 . . . . . . . . 5620 1 579 . 1 1 50 50 GLY CA C 13 45.1 0.5 . 1 . . . . . . . . 5620 1 580 . 1 1 50 50 GLY HA2 H 1 4.46 0.05 . 2 . . . . . . . . 5620 1 581 . 1 1 50 50 GLY HA3 H 1 3.75 0.05 . 2 . . . . . . . . 5620 1 582 . 1 1 50 50 GLY C C 13 174.8 0.5 . 1 . . . . . . . . 5620 1 583 . 1 1 51 51 ASP N N 15 121.7 0.5 . 1 . . . . . . . . 5620 1 584 . 1 1 51 51 ASP H H 1 7.94 0.05 . 1 . . . . . . . . 5620 1 585 . 1 1 51 51 ASP CA C 13 55.5 0.5 . 1 . . . . . . . . 5620 1 586 . 1 1 51 51 ASP HA H 1 4.63 0.05 . 1 . . . . . . . . 5620 1 587 . 1 1 51 51 ASP CB C 13 41.6 0.5 . 1 . . . . . . . . 5620 1 588 . 1 1 51 51 ASP HB2 H 1 2.85 0.05 . 2 . . . . . . . . 5620 1 589 . 1 1 51 51 ASP HB3 H 1 2.55 0.05 . 2 . . . . . . . . 5620 1 590 . 1 1 51 51 ASP C C 13 174.8 0.5 . 1 . . . . . . . . 5620 1 591 . 1 1 52 52 ILE N N 15 119.9 0.5 . 1 . . . . . . . . 5620 1 592 . 1 1 52 52 ILE H H 1 8.41 0.05 . 1 . . . . . . . . 5620 1 593 . 1 1 52 52 ILE CA C 13 59.2 0.5 . 1 . . . . . . . . 5620 1 594 . 1 1 52 52 ILE HA H 1 4.85 0.05 . 1 . . . . . . . . 5620 1 595 . 1 1 52 52 ILE CB C 13 38.4 0.5 . 1 . . . . . . . . 5620 1 596 . 1 1 52 52 ILE HB H 1 1.81 0.05 . 1 . . . . . . . . 5620 1 597 . 1 1 52 52 ILE HG21 H 1 0.74 0.05 . 1 . . . . . . . . 5620 1 598 . 1 1 52 52 ILE HG22 H 1 0.74 0.05 . 1 . . . . . . . . 5620 1 599 . 1 1 52 52 ILE HG23 H 1 0.74 0.05 . 1 . . . . . . . . 5620 1 600 . 1 1 52 52 ILE CG2 C 13 17.9 0.5 . 1 . . . . . . . . 5620 1 601 . 1 1 52 52 ILE CG1 C 13 27.8 0.5 . 1 . . . . . . . . 5620 1 602 . 1 1 52 52 ILE HG12 H 1 1.51 0.05 . 2 . . . . . . . . 5620 1 603 . 1 1 52 52 ILE HG13 H 1 1.26 0.05 . 2 . . . . . . . . 5620 1 604 . 1 1 52 52 ILE HD11 H 1 0.75 0.05 . 1 . . . . . . . . 5620 1 605 . 1 1 52 52 ILE HD12 H 1 0.75 0.05 . 1 . . . . . . . . 5620 1 606 . 1 1 52 52 ILE HD13 H 1 0.75 0.05 . 1 . . . . . . . . 5620 1 607 . 1 1 52 52 ILE CD1 C 13 11.5 0.5 . 1 . . . . . . . . 5620 1 608 . 1 1 52 52 ILE C C 13 176.3 0.5 . 1 . . . . . . . . 5620 1 609 . 1 1 53 53 LEU N N 15 128.1 0.5 . 1 . . . . . . . . 5620 1 610 . 1 1 53 53 LEU H H 1 9.29 0.05 . 1 . . . . . . . . 5620 1 611 . 1 1 53 53 LEU CA C 13 53.1 0.5 . 1 . . . . . . . . 5620 1 612 . 1 1 53 53 LEU HA H 1 4.66 0.05 . 1 . . . . . . . . 5620 1 613 . 1 1 53 53 LEU CB C 13 45.3 0.5 . 1 . . . . . . . . 5620 1 614 . 1 1 53 53 LEU HB2 H 1 1.47 0.05 . 2 . . . . . . . . 5620 1 615 . 1 1 53 53 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 5620 1 616 . 1 1 53 53 LEU CG C 13 27.4 0.5 . 1 . . . . . . . . 5620 1 617 . 1 1 53 53 LEU HG H 1 1.47 0.05 . 1 . . . . . . . . 5620 1 618 . 1 1 53 53 LEU HD11 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 619 . 1 1 53 53 LEU HD12 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 620 . 1 1 53 53 LEU HD13 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 621 . 1 1 53 53 LEU HD21 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 622 . 1 1 53 53 LEU HD22 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 623 . 1 1 53 53 LEU HD23 H 1 0.76 0.05 . 2 . . . . . . . . 5620 1 624 . 1 1 53 53 LEU CD1 C 13 26.5 0.5 . 1 . . . . . . . . 5620 1 625 . 1 1 53 53 LEU CD2 C 13 24.2 0.5 . 1 . . . . . . . . 5620 1 626 . 1 1 53 53 LEU C C 13 175.4 0.5 . 1 . . . . . . . . 5620 1 627 . 1 1 54 54 MET N N 15 120.0 0.5 . 1 . . . . . . . . 5620 1 628 . 1 1 54 54 MET H H 1 8.44 0.05 . 1 . . . . . . . . 5620 1 629 . 1 1 54 54 MET CA C 13 52.9 0.5 . 1 . . . . . . . . 5620 1 630 . 1 1 54 54 MET HA H 1 4.86 0.05 . 1 . . . . . . . . 5620 1 631 . 1 1 54 54 MET CB C 13 31.6 0.5 . 1 . . . . . . . . 5620 1 632 . 1 1 54 54 MET HB2 H 1 1.97 0.05 . 2 . . . . . . . . 5620 1 633 . 1 1 54 54 MET HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5620 1 634 . 1 1 54 54 MET CG C 13 32.4 0.5 . 1 . . . . . . . . 5620 1 635 . 1 1 54 54 MET HG2 H 1 2.54 0.05 . 2 . . . . . . . . 5620 1 636 . 1 1 54 54 MET HG3 H 1 2.37 0.05 . 2 . . . . . . . . 5620 1 637 . 1 1 54 54 MET HE1 H 1 1.87 0.05 . 1 . . . . . . . . 5620 1 638 . 1 1 54 54 MET HE2 H 1 1.87 0.05 . 1 . . . . . . . . 5620 1 639 . 1 1 54 54 MET HE3 H 1 1.87 0.05 . 1 . . . . . . . . 5620 1 640 . 1 1 54 54 MET CE C 13 17.2 0.5 . 1 . . . . . . . . 5620 1 641 . 1 1 54 54 MET C C 13 175.8 0.5 . 1 . . . . . . . . 5620 1 642 . 1 1 55 55 LEU N N 15 124.7 0.5 . 1 . . . . . . . . 5620 1 643 . 1 1 55 55 LEU H H 1 8.88 0.05 . 1 . . . . . . . . 5620 1 644 . 1 1 55 55 LEU CA C 13 54.6 0.5 . 1 . . . . . . . . 5620 1 645 . 1 1 55 55 LEU HA H 1 4.48 0.05 . 1 . . . . . . . . 5620 1 646 . 1 1 55 55 LEU CB C 13 42.7 0.5 . 1 . . . . . . . . 5620 1 647 . 1 1 55 55 LEU HB2 H 1 1.82 0.05 . 2 . . . . . . . . 5620 1 648 . 1 1 55 55 LEU HB3 H 1 1.40 0.05 . 2 . . . . . . . . 5620 1 649 . 1 1 55 55 LEU CG C 13 26.8 0.5 . 1 . . . . . . . . 5620 1 650 . 1 1 55 55 LEU HG H 1 1.65 0.05 . 1 . . . . . . . . 5620 1 651 . 1 1 55 55 LEU HD11 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 652 . 1 1 55 55 LEU HD12 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 653 . 1 1 55 55 LEU HD13 H 1 0.68 0.05 . 2 . . . . . . . . 5620 1 654 . 1 1 55 55 LEU HD21 H 1 0.69 0.05 . 2 . . . . . . . . 5620 1 655 . 1 1 55 55 LEU HD22 H 1 0.69 0.05 . 2 . . . . . . . . 5620 1 656 . 1 1 55 55 LEU HD23 H 1 0.69 0.05 . 2 . . . . . . . . 5620 1 657 . 1 1 55 55 LEU CD1 C 13 26.8 0.5 . 1 . . . . . . . . 5620 1 658 . 1 1 55 55 LEU CD2 C 13 23.3 0.5 . 1 . . . . . . . . 5620 1 659 . 1 1 56 56 LEU CA C 13 54.9 0.5 . 1 . . . . . . . . 5620 1 660 . 1 1 56 56 LEU HA H 1 4.54 0.05 . 1 . . . . . . . . 5620 1 661 . 1 1 56 56 LEU CB C 13 43.2 0.5 . 1 . . . . . . . . 5620 1 662 . 1 1 56 56 LEU HB2 H 1 1.62 0.05 . 1 . . . . . . . . 5620 1 663 . 1 1 56 56 LEU HB3 H 1 1.62 0.05 . 1 . . . . . . . . 5620 1 664 . 1 1 56 56 LEU CG C 13 27.8 0.5 . 1 . . . . . . . . 5620 1 665 . 1 1 56 56 LEU HG H 1 1.63 0.05 . 1 . . . . . . . . 5620 1 666 . 1 1 56 56 LEU HD11 H 1 0.87 0.05 . 2 . . . . . . . . 5620 1 667 . 1 1 56 56 LEU HD12 H 1 0.87 0.05 . 2 . . . . . . . . 5620 1 668 . 1 1 56 56 LEU HD13 H 1 0.87 0.05 . 2 . . . . . . . . 5620 1 669 . 1 1 56 56 LEU HD21 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 670 . 1 1 56 56 LEU HD22 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 671 . 1 1 56 56 LEU HD23 H 1 0.81 0.05 . 2 . . . . . . . . 5620 1 672 . 1 1 56 56 LEU CD1 C 13 25.2 0.5 . 1 . . . . . . . . 5620 1 673 . 1 1 56 56 LEU CD2 C 13 24.0 0.5 . 1 . . . . . . . . 5620 1 674 . 1 1 56 56 LEU C C 13 176.9 0.5 . 1 . . . . . . . . 5620 1 675 . 1 1 57 57 ASP N N 15 120.8 0.5 . 1 . . . . . . . . 5620 1 676 . 1 1 57 57 ASP H H 1 8.40 0.05 . 1 . . . . . . . . 5620 1 677 . 1 1 57 57 ASP CA C 13 55.1 0.5 . 1 . . . . . . . . 5620 1 678 . 1 1 57 57 ASP HA H 1 4.54 0.05 . 1 . . . . . . . . 5620 1 679 . 1 1 57 57 ASP HB2 H 1 2.71 0.05 . 2 . . . . . . . . 5620 1 680 . 1 1 57 57 ASP HB3 H 1 2.62 0.05 . 2 . . . . . . . . 5620 1 681 . 1 1 57 57 ASP C C 13 176.5 0.5 . 1 . . . . . . . . 5620 1 682 . 1 1 58 58 THR N N 15 113.1 0.5 . 1 . . . . . . . . 5620 1 683 . 1 1 58 58 THR H H 1 8.19 0.05 . 1 . . . . . . . . 5620 1 684 . 1 1 58 58 THR CA C 13 62.1 0.5 . 1 . . . . . . . . 5620 1 685 . 1 1 58 58 THR HA H 1 4.29 0.05 . 1 . . . . . . . . 5620 1 686 . 1 1 58 58 THR CB C 13 69.4 0.5 . 1 . . . . . . . . 5620 1 687 . 1 1 58 58 THR HB H 1 4.27 0.05 . 1 . . . . . . . . 5620 1 688 . 1 1 58 58 THR HG21 H 1 1.14 0.05 . 1 . . . . . . . . 5620 1 689 . 1 1 58 58 THR HG22 H 1 1.14 0.05 . 1 . . . . . . . . 5620 1 690 . 1 1 58 58 THR HG23 H 1 1.14 0.05 . 1 . . . . . . . . 5620 1 691 . 1 1 58 58 THR CG2 C 13 21.9 0.5 . 1 . . . . . . . . 5620 1 692 . 1 1 58 58 THR C C 13 174.6 0.5 . 1 . . . . . . . . 5620 1 693 . 1 1 59 59 ILE N N 15 122.5 0.5 . 1 . . . . . . . . 5620 1 694 . 1 1 59 59 ILE H H 1 8.17 0.05 . 1 . . . . . . . . 5620 1 695 . 1 1 59 59 ILE CA C 13 61.8 0.5 . 1 . . . . . . . . 5620 1 696 . 1 1 59 59 ILE HA H 1 4.15 0.05 . 1 . . . . . . . . 5620 1 697 . 1 1 59 59 ILE CB C 13 38.9 0.5 . 1 . . . . . . . . 5620 1 698 . 1 1 59 59 ILE HB H 1 1.88 0.05 . 1 . . . . . . . . 5620 1 699 . 1 1 59 59 ILE HG21 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 700 . 1 1 59 59 ILE HG22 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 701 . 1 1 59 59 ILE HG23 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 702 . 1 1 59 59 ILE CG2 C 13 17.9 0.5 . 1 . . . . . . . . 5620 1 703 . 1 1 59 59 ILE CG1 C 13 28.0 0.5 . 1 . . . . . . . . 5620 1 704 . 1 1 59 59 ILE HG12 H 1 1.47 0.05 . 2 . . . . . . . . 5620 1 705 . 1 1 59 59 ILE HG13 H 1 1.17 0.05 . 2 . . . . . . . . 5620 1 706 . 1 1 59 59 ILE HD11 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 707 . 1 1 59 59 ILE HD12 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 708 . 1 1 59 59 ILE HD13 H 1 0.83 0.05 . 1 . . . . . . . . 5620 1 709 . 1 1 59 59 ILE CD1 C 13 13.2 0.5 . 1 . . . . . . . . 5620 1 710 . 1 1 59 59 ILE C C 13 176.5 0.5 . 1 . . . . . . . . 5620 1 711 . 1 1 60 60 ARG N N 15 124.8 0.5 . 1 . . . . . . . . 5620 1 712 . 1 1 60 60 ARG H H 1 8.39 0.05 . 1 . . . . . . . . 5620 1 713 . 1 1 60 60 ARG CA C 13 56.7 0.5 . 1 . . . . . . . . 5620 1 714 . 1 1 60 60 ARG HA H 1 4.30 0.05 . 1 . . . . . . . . 5620 1 715 . 1 1 60 60 ARG CB C 13 30.9 0.5 . 1 . . . . . . . . 5620 1 716 . 1 1 60 60 ARG HB2 H 1 1.87 0.05 . 2 . . . . . . . . 5620 1 717 . 1 1 60 60 ARG HB3 H 1 1.74 0.05 . 2 . . . . . . . . 5620 1 718 . 1 1 60 60 ARG CG C 13 27.4 0.5 . 1 . . . . . . . . 5620 1 719 . 1 1 60 60 ARG HG2 H 1 1.59 0.05 . 1 . . . . . . . . 5620 1 720 . 1 1 60 60 ARG HG3 H 1 1.59 0.05 . 1 . . . . . . . . 5620 1 721 . 1 1 60 60 ARG CD C 13 43.6 0.5 . 1 . . . . . . . . 5620 1 722 . 1 1 60 60 ARG HD2 H 1 3.16 0.05 . 1 . . . . . . . . 5620 1 723 . 1 1 60 60 ARG HD3 H 1 3.16 0.05 . 1 . . . . . . . . 5620 1 724 . 1 1 60 60 ARG C C 13 176.5 0.5 . 1 . . . . . . . . 5620 1 725 . 1 1 61 61 GLU N N 15 122.1 0.5 . 1 . . . . . . . . 5620 1 726 . 1 1 61 61 GLU H H 1 8.39 0.05 . 1 . . . . . . . . 5620 1 727 . 1 1 61 61 GLU CA C 13 57.2 0.5 . 1 . . . . . . . . 5620 1 728 . 1 1 61 61 GLU HA H 1 4.34 0.05 . 1 . . . . . . . . 5620 1 729 . 1 1 61 61 GLU CB C 13 31.2 0.5 . 1 . . . . . . . . 5620 1 730 . 1 1 61 61 GLU HB2 H 1 1.78 0.05 . 1 . . . . . . . . 5620 1 731 . 1 1 61 61 GLU HB3 H 1 1.78 0.05 . 1 . . . . . . . . 5620 1 732 . 1 1 61 61 GLU CG C 13 36.6 0.5 . 1 . . . . . . . . 5620 1 733 . 1 1 61 61 GLU HG2 H 1 2.26 0.05 . 1 . . . . . . . . 5620 1 734 . 1 1 61 61 GLU HG3 H 1 2.26 0.05 . 1 . . . . . . . . 5620 1 735 . 1 1 61 61 GLU C C 13 176.2 0.5 . 1 . . . . . . . . 5620 1 736 . 1 1 62 62 ALA N N 15 125.6 0.5 . 1 . . . . . . . . 5620 1 737 . 1 1 62 62 ALA H H 1 8.34 0.05 . 1 . . . . . . . . 5620 1 738 . 1 1 62 62 ALA CA C 13 52.7 0.5 . 1 . . . . . . . . 5620 1 739 . 1 1 62 62 ALA HA H 1 4.32 0.05 . 1 . . . . . . . . 5620 1 740 . 1 1 62 62 ALA HB1 H 1 1.38 0.05 . 1 . . . . . . . . 5620 1 741 . 1 1 62 62 ALA HB2 H 1 1.38 0.05 . 1 . . . . . . . . 5620 1 742 . 1 1 62 62 ALA HB3 H 1 1.38 0.05 . 1 . . . . . . . . 5620 1 743 . 1 1 62 62 ALA CB C 13 19.4 0.5 . 1 . . . . . . . . 5620 1 744 . 1 1 62 62 ALA C C 13 177.8 0.5 . 1 . . . . . . . . 5620 1 745 . 1 1 63 63 LYS N N 15 120.6 0.5 . 1 . . . . . . . . 5620 1 746 . 1 1 63 63 LYS H H 1 8.26 0.05 . 1 . . . . . . . . 5620 1 747 . 1 1 63 63 LYS CA C 13 56.6 0.5 . 1 . . . . . . . . 5620 1 748 . 1 1 63 63 LYS HA H 1 4.29 0.05 . 1 . . . . . . . . 5620 1 749 . 1 1 63 63 LYS CB C 13 33.5 0.5 . 1 . . . . . . . . 5620 1 750 . 1 1 63 63 LYS HB2 H 1 1.82 0.05 . 2 . . . . . . . . 5620 1 751 . 1 1 63 63 LYS HB3 H 1 1.76 0.05 . 2 . . . . . . . . 5620 1 752 . 1 1 63 63 LYS CG C 13 25.2 0.5 . 1 . . . . . . . . 5620 1 753 . 1 1 63 63 LYS HG2 H 1 1.43 0.05 . 1 . . . . . . . . 5620 1 754 . 1 1 63 63 LYS HG3 H 1 1.43 0.05 . 1 . . . . . . . . 5620 1 755 . 1 1 63 63 LYS CD C 13 29.3 0.5 . 1 . . . . . . . . 5620 1 756 . 1 1 63 63 LYS HD2 H 1 1.68 0.05 . 1 . . . . . . . . 5620 1 757 . 1 1 63 63 LYS HD3 H 1 1.68 0.05 . 1 . . . . . . . . 5620 1 758 . 1 1 63 63 LYS CE C 13 42.5 0.5 . 1 . . . . . . . . 5620 1 759 . 1 1 63 63 LYS HE2 H 1 2.99 0.05 . 1 . . . . . . . . 5620 1 760 . 1 1 63 63 LYS HE3 H 1 2.99 0.05 . 1 . . . . . . . . 5620 1 761 . 1 1 63 63 LYS C C 13 176.6 0.5 . 1 . . . . . . . . 5620 1 762 . 1 1 64 64 GLU N N 15 121.9 0.5 . 1 . . . . . . . . 5620 1 763 . 1 1 64 64 GLU H H 1 8.38 0.05 . 1 . . . . . . . . 5620 1 764 . 1 1 64 64 GLU CA C 13 57.2 0.5 . 1 . . . . . . . . 5620 1 765 . 1 1 64 64 GLU HA H 1 4.36 0.05 . 1 . . . . . . . . 5620 1 766 . 1 1 64 64 GLU CB C 13 31.2 0.5 . 1 . . . . . . . . 5620 1 767 . 1 1 64 64 GLU HB2 H 1 1.92 0.05 . 1 . . . . . . . . 5620 1 768 . 1 1 64 64 GLU HB3 H 1 1.92 0.05 . 1 . . . . . . . . 5620 1 769 . 1 1 64 64 GLU CG C 13 36.4 0.5 . 1 . . . . . . . . 5620 1 770 . 1 1 64 64 GLU C C 13 176.4 0.5 . 1 . . . . . . . . 5620 1 771 . 1 1 65 65 ILE N N 15 122.9 0.5 . 1 . . . . . . . . 5620 1 772 . 1 1 65 65 ILE H H 1 8.24 0.05 . 1 . . . . . . . . 5620 1 773 . 1 1 65 65 ILE CA C 13 61.3 0.5 . 1 . . . . . . . . 5620 1 774 . 1 1 65 65 ILE HA H 1 4.18 0.05 . 1 . . . . . . . . 5620 1 775 . 1 1 65 65 ILE CB C 13 38.7 0.5 . 1 . . . . . . . . 5620 1 776 . 1 1 65 65 ILE HB H 1 1.86 0.05 . 1 . . . . . . . . 5620 1 777 . 1 1 65 65 ILE HG21 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 778 . 1 1 65 65 ILE HG22 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 779 . 1 1 65 65 ILE HG23 H 1 0.88 0.05 . 1 . . . . . . . . 5620 1 780 . 1 1 65 65 ILE CG2 C 13 17.7 0.5 . 1 . . . . . . . . 5620 1 781 . 1 1 65 65 ILE CG1 C 13 27.6 0.5 . 1 . . . . . . . . 5620 1 782 . 1 1 65 65 ILE HG12 H 1 1.47 0.05 . 2 . . . . . . . . 5620 1 783 . 1 1 65 65 ILE HG13 H 1 1.17 0.05 . 2 . . . . . . . . 5620 1 784 . 1 1 65 65 ILE HD11 H 1 0.85 0.05 . 1 . . . . . . . . 5620 1 785 . 1 1 65 65 ILE HD12 H 1 0.85 0.05 . 1 . . . . . . . . 5620 1 786 . 1 1 65 65 ILE HD13 H 1 0.85 0.05 . 1 . . . . . . . . 5620 1 787 . 1 1 65 65 ILE CD1 C 13 13.2 0.5 . 1 . . . . . . . . 5620 1 788 . 1 1 65 65 ILE C C 13 176.3 0.5 . 1 . . . . . . . . 5620 1 789 . 1 1 66 66 ARG N N 15 125.8 0.5 . 1 . . . . . . . . 5620 1 790 . 1 1 66 66 ARG H H 1 8.45 0.05 . 1 . . . . . . . . 5620 1 791 . 1 1 66 66 ARG CA C 13 56.5 0.5 . 1 . . . . . . . . 5620 1 792 . 1 1 66 66 ARG HA H 1 4.37 0.05 . 1 . . . . . . . . 5620 1 793 . 1 1 66 66 ARG CB C 13 31.1 0.5 . 1 . . . . . . . . 5620 1 794 . 1 1 66 66 ARG HB2 H 1 1.92 0.05 . 2 . . . . . . . . 5620 1 795 . 1 1 66 66 ARG HB3 H 1 1.78 0.05 . 2 . . . . . . . . 5620 1 796 . 1 1 66 66 ARG CG C 13 27.4 0.5 . 1 . . . . . . . . 5620 1 797 . 1 1 66 66 ARG HG2 H 1 1.69 0.05 . 1 . . . . . . . . 5620 1 798 . 1 1 66 66 ARG HG3 H 1 1.69 0.05 . 1 . . . . . . . . 5620 1 799 . 1 1 66 66 ARG CD C 13 43.6 0.5 . 1 . . . . . . . . 5620 1 800 . 1 1 66 66 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 5620 1 801 . 1 1 66 66 ARG HD3 H 1 3.21 0.05 . 1 . . . . . . . . 5620 1 802 . 1 1 67 67 THR N N 15 119.058 0.5 . 1 . . . . . . . . 5620 1 803 . 1 1 67 67 THR H H 1 8.23 0.05 . 1 . . . . . . . . 5620 1 804 . 1 1 67 67 THR CA C 13 60.1 0.5 . 1 . . . . . . . . 5620 1 805 . 1 1 67 67 THR HA H 1 4.59 0.05 . 1 . . . . . . . . 5620 1 806 . 1 1 67 67 THR CB C 13 69.9 0.5 . 1 . . . . . . . . 5620 1 807 . 1 1 67 67 THR HB H 1 4.15 0.05 . 1 . . . . . . . . 5620 1 808 . 1 1 67 67 THR HG21 H 1 1.25 0.05 . 1 . . . . . . . . 5620 1 809 . 1 1 67 67 THR HG22 H 1 1.25 0.05 . 1 . . . . . . . . 5620 1 810 . 1 1 67 67 THR HG23 H 1 1.25 0.05 . 1 . . . . . . . . 5620 1 811 . 1 1 67 67 THR CG2 C 13 21.8 0.5 . 1 . . . . . . . . 5620 1 812 . 1 1 68 68 PRO CD C 13 51.4 0.5 . 1 . . . . . . . . 5620 1 813 . 1 1 68 68 PRO CA C 13 63.5 0.5 . 1 . . . . . . . . 5620 1 814 . 1 1 68 68 PRO HA H 1 4.44 0.05 . 1 . . . . . . . . 5620 1 815 . 1 1 68 68 PRO CB C 13 32.4 0.5 . 1 . . . . . . . . 5620 1 816 . 1 1 68 68 PRO HB2 H 1 2.32 0.05 . 2 . . . . . . . . 5620 1 817 . 1 1 68 68 PRO HB3 H 1 1.94 0.05 . 2 . . . . . . . . 5620 1 818 . 1 1 68 68 PRO CG C 13 27.8 0.5 . 1 . . . . . . . . 5620 1 819 . 1 1 68 68 PRO HG2 H 1 2.06 0.05 . 2 . . . . . . . . 5620 1 820 . 1 1 68 68 PRO HG3 H 1 1.98 0.05 . 2 . . . . . . . . 5620 1 821 . 1 1 68 68 PRO HD2 H 1 3.85 0.05 . 2 . . . . . . . . 5620 1 822 . 1 1 68 68 PRO HD3 H 1 3.72 0.05 . 2 . . . . . . . . 5620 1 stop_ save_